1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride

C7H12ClNO2 — CID 87215284

IUPAC1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
SMILESC=CC(N)OC(=O)C(=C)C.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-6(8)10-7(9)5(2)3;/h4,6H,1-2,8H2,3H3;1H
InChIKeyDPDPQXBXNMZOTR-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.00
Rot. Bonds3

About 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride

1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 87215284) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
PubChem CID87215284
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
SMILESC=CC(N)OC(=O)C(=C)C.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-6(8)10-7(9)5(2)3;/h4,6H,1-2,8H2,3H3;1H
InChIKeyDPDPQXBXNMZOTR-UHFFFAOYSA-N
XLogP1.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diaminomethyl 2-methylprop-2-enoate
CID 18522879
1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
CID 87514623
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570

Frequently Asked Questions

What is the IUPAC name of 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride (CID 87215284) is 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride is C=CC(N)OC(=O)C(=C)C.Cl.
What is the InChIKey of 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is DPDPQXBXNMZOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-4-6(8)10-7(9)5(2)3;/h4,6H,1-2,8H2,3H3;1H.
What are the key properties of 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride?
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 87215284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).